G550-0053 Screening compound: N~3~-(5-chloro-2-methoxyphenyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

G550-0053 Screening compound: N~3~-(5-chloro-2-methoxyphenyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide
G550-0053 Screening compound: N~3~-(5-chloro-2-methoxyphenyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G550-0053
N~3~-(5-chloro-2-methoxyphenyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G550-0053

Molecular Formula

C15H14ClN3O4S (C15 H14 ClN3 O4 S)

Compound Name

N~3~-(5-chloro-2-methoxyphenyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-11-dioxo-34-dihydro-2H-1lambda624-benzothiadiazine-3-carboxamide

SMILES

COc(ccc(Cl)c1)c1NC(C(Nc1c2cccc1)NS2(=O)=O)=O

InChI

InChI=1S/C15H14ClN3O4S/c1-23-12-7-6-9(16)8-11(12)18-15(20)14-17-10-4-2-3-5-13(10)24(21,22)19-14/h2-8,14,17,19H,1H3,(H,18,20)/t14-/m0/s1

InChI Key

LNXOYIGQLPMFQH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15019146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.81

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.595

Distribution Coefficient, logD

1.559

Water Solubility, LogSw

-2.63

Polar Surface Area

82.396

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

G550-0053 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with G550-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G550-0053?
Check Price and Availability of G550-0053, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G550-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G550-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G550-0053
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G550-0053 available by request